USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 HIS : no HD1:sc= -0.716 K(o=-7.5,f=-8.8) USER MOD Set 1.2: A 31 HIS : no HD1:sc= -6.82! C(o=-7.5!,f=-8.1!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= -0.484 USER MOD Set 2.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.11) USER MOD Single : A 22 THR OG1 : rot 82:sc= 0.723 USER MOD Single : A 23 SER OG : rot 84:sc= 0.438 USER MOD Single : A 28 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.134) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.707) USER MOD Single : A 34 SER OG : rot 180:sc= -0.129 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.362 K(o=-0.36,f=-2.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.147) USER MOD Single : A 45 CYS SG : rot -18:sc= -0.775 USER MOD Single : A 46 SER OG : rot 170:sc= -0.29 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -103:sc= -0.855 USER MOD Single : A 52 MET CE :methyl -171:sc= -1.35 (180deg=-1.53) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0694) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -107:sc= 0.446 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 97:sc= 0.418 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 0.015 (180deg=0.00312) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -15.241 11.260 -5.094 1.00 0.00 N ATOM 164 CA LYS A 12 -14.594 9.990 -5.540 1.00 0.00 C ATOM 165 C LYS A 12 -15.432 8.786 -5.100 1.00 0.00 C ATOM 166 O LYS A 12 -16.568 8.929 -4.686 1.00 0.00 O ATOM 167 CB LYS A 12 -13.228 9.975 -4.848 1.00 0.00 C ATOM 168 CG LYS A 12 -12.352 11.103 -5.406 1.00 0.00 C ATOM 169 CD LYS A 12 -11.311 10.524 -6.369 1.00 0.00 C ATOM 170 CE LYS A 12 -11.854 10.571 -7.799 1.00 0.00 C ATOM 171 NZ LYS A 12 -11.517 11.934 -8.294 1.00 0.00 N ATOM 0 HA LYS A 12 -14.502 9.933 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.353 10.098 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.741 9.012 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.972 11.835 -5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.854 11.627 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.383 11.092 -6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.076 9.496 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.397 9.801 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.930 10.399 -7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.858 12.043 -9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.972 12.646 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.486 12.067 -8.271 1.00 0.00 H new ATOM 185 N MET A 13 -14.878 7.604 -5.185 1.00 0.00 N ATOM 186 CA MET A 13 -15.633 6.384 -4.774 1.00 0.00 C ATOM 187 C MET A 13 -14.787 5.536 -3.821 1.00 0.00 C ATOM 188 O MET A 13 -13.768 5.977 -3.324 1.00 0.00 O ATOM 189 CB MET A 13 -15.901 5.627 -6.076 1.00 0.00 C ATOM 190 CG MET A 13 -17.269 6.029 -6.629 1.00 0.00 C ATOM 191 SD MET A 13 -17.115 7.578 -7.553 1.00 0.00 S ATOM 192 CE MET A 13 -18.634 7.415 -8.522 1.00 0.00 C ATOM 0 H MET A 13 -13.931 7.431 -5.523 1.00 0.00 H new ATOM 0 HA MET A 13 -16.556 6.626 -4.247 1.00 0.00 H new ATOM 0 HB2 MET A 13 -15.122 5.850 -6.805 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.871 4.552 -5.897 1.00 0.00 H new ATOM 0 HG2 MET A 13 -17.656 5.243 -7.278 1.00 0.00 H new ATOM 0 HG3 MET A 13 -17.982 6.149 -5.813 1.00 0.00 H new ATOM 0 HE1 MET A 13 -18.743 8.280 -9.176 1.00 0.00 H new ATOM 0 HE2 MET A 13 -18.586 6.508 -9.125 1.00 0.00 H new ATOM 0 HE3 MET A 13 -19.490 7.359 -7.850 1.00 0.00 H new ATOM 202 N SER A 14 -15.204 4.322 -3.564 1.00 0.00 N ATOM 203 CA SER A 14 -14.430 3.437 -2.643 1.00 0.00 C ATOM 204 C SER A 14 -14.613 1.970 -3.041 1.00 0.00 C ATOM 205 O SER A 14 -15.335 1.655 -3.968 1.00 0.00 O ATOM 206 CB SER A 14 -15.022 3.699 -1.259 1.00 0.00 C ATOM 207 OG SER A 14 -14.667 2.635 -0.385 1.00 0.00 O ATOM 0 H SER A 14 -16.049 3.905 -3.954 1.00 0.00 H new ATOM 0 HA SER A 14 -13.359 3.640 -2.673 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.652 4.646 -0.866 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.107 3.784 -1.325 1.00 0.00 H new ATOM 0 HG SER A 14 -15.044 2.802 0.504 1.00 0.00 H new ATOM 213 N SER A 15 -13.961 1.073 -2.345 1.00 0.00 N ATOM 214 CA SER A 15 -14.091 -0.380 -2.677 1.00 0.00 C ATOM 215 C SER A 15 -15.539 -0.838 -2.491 1.00 0.00 C ATOM 216 O SER A 15 -16.000 -1.749 -3.153 1.00 0.00 O ATOM 217 CB SER A 15 -13.170 -1.104 -1.693 1.00 0.00 C ATOM 218 OG SER A 15 -13.560 -0.787 -0.365 1.00 0.00 O ATOM 0 H SER A 15 -13.344 1.284 -1.561 1.00 0.00 H new ATOM 0 HA SER A 15 -13.821 -0.588 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.223 -2.181 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.135 -0.808 -1.861 1.00 0.00 H new ATOM 0 HG SER A 15 -12.973 -1.251 0.268 1.00 0.00 H new ATOM 224 N TYR A 16 -16.257 -0.214 -1.592 1.00 0.00 N ATOM 225 CA TYR A 16 -17.679 -0.607 -1.355 1.00 0.00 C ATOM 226 C TYR A 16 -18.589 0.038 -2.403 1.00 0.00 C ATOM 227 O TYR A 16 -19.631 -0.492 -2.743 1.00 0.00 O ATOM 228 CB TYR A 16 -18.011 -0.080 0.042 1.00 0.00 C ATOM 229 CG TYR A 16 -19.156 -0.876 0.621 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.476 -0.467 0.399 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.897 -2.024 1.380 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.538 -1.204 0.936 1.00 0.00 C ATOM 233 CE2 TYR A 16 -19.959 -2.762 1.917 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.279 -2.352 1.695 1.00 0.00 C ATOM 235 OH TYR A 16 -22.326 -3.079 2.225 1.00 0.00 O ATOM 0 H TYR A 16 -15.919 0.553 -1.010 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.826 -1.685 -1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -17.137 -0.157 0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -18.277 0.976 -0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.675 0.418 -0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.879 -2.340 1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.556 -0.888 0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -19.760 -3.647 2.502 1.00 0.00 H new ATOM 0 HH TYR A 16 -21.973 -3.846 2.723 1.00 0.00 H new ATOM 245 N ALA A 17 -18.203 1.179 -2.916 1.00 0.00 N ATOM 246 CA ALA A 17 -19.041 1.867 -3.945 1.00 0.00 C ATOM 247 C ALA A 17 -18.820 1.230 -5.318 1.00 0.00 C ATOM 248 O ALA A 17 -19.711 1.198 -6.146 1.00 0.00 O ATOM 249 CB ALA A 17 -18.562 3.320 -3.944 1.00 0.00 C ATOM 0 H ALA A 17 -17.342 1.665 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 17 -20.106 1.791 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -19.132 3.891 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.709 3.751 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.503 3.354 -4.201 1.00 0.00 H new ATOM 255 N PHE A 18 -17.638 0.722 -5.563 1.00 0.00 N ATOM 256 CA PHE A 18 -17.350 0.083 -6.883 1.00 0.00 C ATOM 257 C PHE A 18 -18.022 -1.291 -6.961 1.00 0.00 C ATOM 258 O PHE A 18 -18.393 -1.750 -8.025 1.00 0.00 O ATOM 259 CB PHE A 18 -15.827 -0.062 -6.936 1.00 0.00 C ATOM 260 CG PHE A 18 -15.236 1.069 -7.747 1.00 0.00 C ATOM 261 CD1 PHE A 18 -14.910 2.281 -7.126 1.00 0.00 C ATOM 262 CD2 PHE A 18 -15.014 0.904 -9.119 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.362 3.327 -7.878 1.00 0.00 C ATOM 264 CE2 PHE A 18 -14.466 1.950 -9.871 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.140 3.162 -9.250 1.00 0.00 C ATOM 0 H PHE A 18 -16.859 0.722 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.730 0.673 -7.717 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.416 -0.052 -5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.558 -1.020 -7.381 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -15.081 2.409 -6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.266 -0.031 -9.598 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.110 4.262 -7.399 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.295 1.822 -10.930 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.717 3.969 -9.830 1.00 0.00 H new ATOM 275 N PHE A 19 -18.180 -1.947 -5.838 1.00 0.00 N ATOM 276 CA PHE A 19 -18.830 -3.294 -5.839 1.00 0.00 C ATOM 277 C PHE A 19 -20.301 -3.168 -6.243 1.00 0.00 C ATOM 278 O PHE A 19 -20.794 -3.916 -7.067 1.00 0.00 O ATOM 279 CB PHE A 19 -18.711 -3.802 -4.401 1.00 0.00 C ATOM 280 CG PHE A 19 -18.890 -5.301 -4.378 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.050 -6.118 -5.145 1.00 0.00 C ATOM 282 CD2 PHE A 19 -19.897 -5.873 -3.592 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.217 -7.507 -5.124 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.063 -7.263 -3.572 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.224 -8.081 -4.337 1.00 0.00 C ATOM 0 H PHE A 19 -17.887 -1.608 -4.921 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.360 -3.976 -6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.737 -3.535 -3.990 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.464 -3.326 -3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.274 -5.676 -5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.545 -5.243 -3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.569 -8.137 -5.715 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -20.840 -7.705 -2.965 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.353 -9.153 -4.321 1.00 0.00 H new ATOM 295 N VAL A 20 -21.001 -2.223 -5.668 1.00 0.00 N ATOM 296 CA VAL A 20 -22.443 -2.035 -6.016 1.00 0.00 C ATOM 297 C VAL A 20 -22.569 -1.535 -7.459 1.00 0.00 C ATOM 298 O VAL A 20 -23.536 -1.821 -8.141 1.00 0.00 O ATOM 299 CB VAL A 20 -22.965 -0.985 -5.027 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.444 -0.699 -5.303 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.811 -1.511 -3.598 1.00 0.00 C ATOM 0 H VAL A 20 -20.636 -1.573 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.011 -2.963 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.392 -0.066 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.808 0.047 -4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.558 -0.323 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.020 -1.618 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.182 -0.766 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.383 -2.432 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.759 -1.710 -3.395 1.00 0.00 H new ATOM 311 N GLN A 21 -21.596 -0.795 -7.925 1.00 0.00 N ATOM 312 CA GLN A 21 -21.650 -0.273 -9.326 1.00 0.00 C ATOM 313 C GLN A 21 -21.584 -1.435 -10.321 1.00 0.00 C ATOM 314 O GLN A 21 -22.130 -1.366 -11.406 1.00 0.00 O ATOM 315 CB GLN A 21 -20.420 0.625 -9.470 1.00 0.00 C ATOM 316 CG GLN A 21 -20.763 2.041 -9.001 1.00 0.00 C ATOM 317 CD GLN A 21 -21.570 2.757 -10.086 1.00 0.00 C ATOM 318 OE1 GLN A 21 -21.007 3.364 -10.975 1.00 0.00 O ATOM 319 NE2 GLN A 21 -22.873 2.711 -10.050 1.00 0.00 N ATOM 0 H GLN A 21 -20.765 -0.529 -7.396 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.573 0.271 -9.527 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -19.594 0.226 -8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -20.091 0.644 -10.509 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.336 2.000 -8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -19.850 2.596 -8.787 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -23.345 2.201 -9.303 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -23.420 3.185 -10.769 1.00 0.00 H new ATOM 328 N THR A 22 -20.920 -2.501 -9.954 1.00 0.00 N ATOM 329 CA THR A 22 -20.814 -3.676 -10.869 1.00 0.00 C ATOM 330 C THR A 22 -22.046 -4.572 -10.721 1.00 0.00 C ATOM 331 O THR A 22 -22.451 -5.243 -11.653 1.00 0.00 O ATOM 332 CB THR A 22 -19.554 -4.417 -10.418 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.477 -3.496 -10.318 1.00 0.00 O ATOM 334 CG2 THR A 22 -19.205 -5.504 -11.436 1.00 0.00 C ATOM 0 H THR A 22 -20.446 -2.608 -9.057 1.00 0.00 H new ATOM 0 HA THR A 22 -20.759 -3.381 -11.917 1.00 0.00 H new ATOM 0 HB THR A 22 -19.732 -4.878 -9.446 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.529 -3.024 -9.461 1.00 0.00 H new ATOM 0 HG21 THR A 22 -18.307 -6.031 -11.113 1.00 0.00 H new ATOM 0 HG22 THR A 22 -20.032 -6.210 -11.512 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.027 -5.047 -12.409 1.00 0.00 H new ATOM 342 N SER A 23 -22.643 -4.584 -9.557 1.00 0.00 N ATOM 343 CA SER A 23 -23.852 -5.432 -9.336 1.00 0.00 C ATOM 344 C SER A 23 -25.110 -4.692 -9.802 1.00 0.00 C ATOM 345 O SER A 23 -26.083 -5.300 -10.205 1.00 0.00 O ATOM 346 CB SER A 23 -23.898 -5.671 -7.828 1.00 0.00 C ATOM 347 OG SER A 23 -22.670 -6.249 -7.407 1.00 0.00 O ATOM 0 H SER A 23 -22.344 -4.041 -8.747 1.00 0.00 H new ATOM 0 HA SER A 23 -23.809 -6.367 -9.895 1.00 0.00 H new ATOM 0 HB2 SER A 23 -24.069 -4.731 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.729 -6.331 -7.578 1.00 0.00 H new ATOM 0 HG SER A 23 -22.008 -5.541 -7.261 1.00 0.00 H new ATOM 353 N ARG A 24 -25.092 -3.383 -9.747 1.00 0.00 N ATOM 354 CA ARG A 24 -26.285 -2.594 -10.187 1.00 0.00 C ATOM 355 C ARG A 24 -26.417 -2.648 -11.711 1.00 0.00 C ATOM 356 O ARG A 24 -27.509 -2.693 -12.245 1.00 0.00 O ATOM 357 CB ARG A 24 -26.015 -1.162 -9.721 1.00 0.00 C ATOM 358 CG ARG A 24 -27.322 -0.368 -9.726 1.00 0.00 C ATOM 359 CD ARG A 24 -27.574 0.194 -11.125 1.00 0.00 C ATOM 360 NE ARG A 24 -28.497 1.345 -10.917 1.00 0.00 N ATOM 361 CZ ARG A 24 -28.307 2.459 -11.568 1.00 0.00 C ATOM 362 NH1 ARG A 24 -27.256 3.191 -11.316 1.00 0.00 N ATOM 363 NH2 ARG A 24 -29.167 2.843 -12.470 1.00 0.00 N ATOM 0 H ARG A 24 -24.303 -2.827 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.214 -2.985 -9.771 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.586 -1.169 -8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.286 -0.686 -10.377 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.150 -1.010 -9.426 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.269 0.444 -9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.644 0.514 -11.595 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.020 -0.557 -11.778 1.00 0.00 H new ATOM 0 HE ARG A 24 -29.277 1.262 -10.266 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -26.583 2.892 -10.610 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -27.107 4.062 -11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -29.989 2.272 -12.667 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -29.018 3.714 -12.979 1.00 0.00 H new ATOM 377 N GLU A 25 -25.311 -2.645 -12.409 1.00 0.00 N ATOM 378 CA GLU A 25 -25.362 -2.699 -13.903 1.00 0.00 C ATOM 379 C GLU A 25 -25.858 -4.071 -14.360 1.00 0.00 C ATOM 380 O GLU A 25 -26.770 -4.177 -15.159 1.00 0.00 O ATOM 381 CB GLU A 25 -23.924 -2.467 -14.366 1.00 0.00 C ATOM 382 CG GLU A 25 -23.583 -0.981 -14.240 1.00 0.00 C ATOM 383 CD GLU A 25 -22.411 -0.646 -15.164 1.00 0.00 C ATOM 384 OE1 GLU A 25 -22.614 -0.642 -16.368 1.00 0.00 O ATOM 385 OE2 GLU A 25 -21.331 -0.399 -14.654 1.00 0.00 O ATOM 0 H GLU A 25 -24.373 -2.607 -12.010 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.043 -1.956 -14.319 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.236 -3.061 -13.765 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.806 -2.792 -15.400 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.450 -0.375 -14.501 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.326 -0.742 -13.208 1.00 0.00 H new ATOM 392 N GLU A 26 -25.266 -5.122 -13.852 1.00 0.00 N ATOM 393 CA GLU A 26 -25.702 -6.498 -14.248 1.00 0.00 C ATOM 394 C GLU A 26 -27.170 -6.718 -13.867 1.00 0.00 C ATOM 395 O GLU A 26 -27.861 -7.516 -14.470 1.00 0.00 O ATOM 396 CB GLU A 26 -24.796 -7.451 -13.465 1.00 0.00 C ATOM 397 CG GLU A 26 -24.961 -8.872 -14.006 1.00 0.00 C ATOM 398 CD GLU A 26 -23.882 -9.776 -13.406 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.737 -9.644 -13.806 1.00 0.00 O ATOM 400 OE2 GLU A 26 -24.219 -10.583 -12.556 1.00 0.00 O ATOM 0 H GLU A 26 -24.499 -5.088 -13.180 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.624 -6.659 -15.323 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.756 -7.136 -13.553 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -25.049 -7.422 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.951 -9.255 -13.757 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.885 -8.870 -15.093 1.00 0.00 H new ATOM 407 N HIS A 27 -27.649 -6.012 -12.871 1.00 0.00 N ATOM 408 CA HIS A 27 -29.075 -6.175 -12.450 1.00 0.00 C ATOM 409 C HIS A 27 -30.014 -5.755 -13.585 1.00 0.00 C ATOM 410 O HIS A 27 -31.124 -6.240 -13.693 1.00 0.00 O ATOM 411 CB HIS A 27 -29.248 -5.248 -11.243 1.00 0.00 C ATOM 412 CG HIS A 27 -30.500 -5.625 -10.499 1.00 0.00 C ATOM 413 ND1 HIS A 27 -30.559 -6.729 -9.663 1.00 0.00 N ATOM 414 CD2 HIS A 27 -31.747 -5.054 -10.455 1.00 0.00 C ATOM 415 CE1 HIS A 27 -31.805 -6.787 -9.156 1.00 0.00 C ATOM 416 NE2 HIS A 27 -32.570 -5.790 -9.606 1.00 0.00 N ATOM 0 H HIS A 27 -27.114 -5.331 -12.332 1.00 0.00 H new ATOM 0 HA HIS A 27 -29.313 -7.210 -12.205 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -28.383 -5.325 -10.584 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -29.306 -4.211 -11.573 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -32.045 -4.168 -10.996 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -32.144 -7.548 -8.469 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -33.547 -5.607 -9.377 1.00 0.00 H new ATOM 424 N LYS A 28 -29.573 -4.857 -14.431 1.00 0.00 N ATOM 425 CA LYS A 28 -30.434 -4.397 -15.563 1.00 0.00 C ATOM 426 C LYS A 28 -30.370 -5.402 -16.720 1.00 0.00 C ATOM 427 O LYS A 28 -29.987 -5.068 -17.826 1.00 0.00 O ATOM 428 CB LYS A 28 -29.849 -3.049 -15.986 1.00 0.00 C ATOM 429 CG LYS A 28 -30.890 -2.272 -16.796 1.00 0.00 C ATOM 430 CD LYS A 28 -30.283 -0.952 -17.273 1.00 0.00 C ATOM 431 CE LYS A 28 -30.266 0.050 -16.117 1.00 0.00 C ATOM 432 NZ LYS A 28 -31.639 0.627 -16.088 1.00 0.00 N ATOM 0 H LYS A 28 -28.652 -4.422 -14.386 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.482 -4.312 -15.276 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -29.555 -2.476 -15.107 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -28.949 -3.202 -16.582 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.217 -2.864 -17.651 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -31.772 -2.079 -16.185 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -29.270 -1.117 -17.640 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -30.862 -0.553 -18.105 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -30.023 -0.439 -15.174 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -29.516 0.824 -16.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -31.608 1.613 -16.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -32.261 0.074 -16.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -32.008 0.597 -15.116 1.00 0.00 H new ATOM 446 N LYS A 29 -30.744 -6.628 -16.466 1.00 0.00 N ATOM 447 CA LYS A 29 -30.714 -7.669 -17.538 1.00 0.00 C ATOM 448 C LYS A 29 -31.683 -8.803 -17.189 1.00 0.00 C ATOM 449 O LYS A 29 -32.432 -9.272 -18.025 1.00 0.00 O ATOM 450 CB LYS A 29 -29.273 -8.181 -17.553 1.00 0.00 C ATOM 451 CG LYS A 29 -28.476 -7.441 -18.629 1.00 0.00 C ATOM 452 CD LYS A 29 -27.152 -8.167 -18.874 1.00 0.00 C ATOM 453 CE LYS A 29 -26.311 -7.376 -19.878 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.923 -7.887 -19.706 1.00 0.00 N ATOM 0 H LYS A 29 -31.071 -6.956 -15.557 1.00 0.00 H new ATOM 0 HA LYS A 29 -31.015 -7.276 -18.509 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.813 -8.030 -16.577 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -29.259 -9.253 -17.749 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -29.052 -7.391 -19.553 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.287 -6.414 -18.315 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -26.608 -8.278 -17.936 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -27.341 -9.171 -19.254 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -26.665 -7.530 -20.897 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -26.365 -6.305 -19.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.287 -7.391 -20.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -24.610 -7.720 -18.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.901 -8.907 -19.907 1.00 0.00 H new ATOM 468 N LYS A 30 -31.673 -9.236 -15.955 1.00 0.00 N ATOM 469 CA LYS A 30 -32.593 -10.335 -15.529 1.00 0.00 C ATOM 470 C LYS A 30 -33.539 -9.843 -14.430 1.00 0.00 C ATOM 471 O LYS A 30 -34.006 -10.613 -13.614 1.00 0.00 O ATOM 472 CB LYS A 30 -31.685 -11.457 -15.006 1.00 0.00 C ATOM 473 CG LYS A 30 -30.816 -10.952 -13.846 1.00 0.00 C ATOM 474 CD LYS A 30 -29.339 -11.237 -14.136 1.00 0.00 C ATOM 475 CE LYS A 30 -28.885 -10.406 -15.339 1.00 0.00 C ATOM 476 NZ LYS A 30 -27.458 -10.779 -15.547 1.00 0.00 N ATOM 0 H LYS A 30 -31.065 -8.875 -15.220 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.219 -10.681 -16.351 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -32.293 -12.298 -14.673 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -31.049 -11.823 -15.812 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.968 -9.882 -13.706 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -31.114 -11.440 -12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -28.733 -10.994 -13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -29.195 -12.298 -14.339 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -29.484 -10.629 -16.222 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -28.990 -9.339 -15.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.967 -10.009 -16.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.004 -10.940 -14.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.406 -11.648 -16.116 1.00 0.00 H new ATOM 490 N HIS A 31 -33.829 -8.565 -14.413 1.00 0.00 N ATOM 491 CA HIS A 31 -34.752 -8.012 -13.373 1.00 0.00 C ATOM 492 C HIS A 31 -35.562 -6.840 -13.955 1.00 0.00 C ATOM 493 O HIS A 31 -35.366 -5.704 -13.566 1.00 0.00 O ATOM 494 CB HIS A 31 -33.839 -7.531 -12.240 1.00 0.00 C ATOM 495 CG HIS A 31 -33.063 -8.696 -11.690 1.00 0.00 C ATOM 496 ND1 HIS A 31 -33.685 -9.825 -11.182 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.716 -8.930 -11.583 1.00 0.00 C ATOM 498 CE1 HIS A 31 -32.720 -10.680 -10.801 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.501 -10.183 -11.019 1.00 0.00 N ATOM 0 H HIS A 31 -33.466 -7.880 -15.076 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.472 -8.752 -13.023 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -33.155 -6.767 -12.610 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.433 -7.071 -11.450 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -30.940 -8.245 -11.890 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -32.909 -11.652 -10.370 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.605 -10.626 -10.816 1.00 0.00 H new ATOM 507 N PRO A 32 -36.451 -7.145 -14.877 1.00 0.00 N ATOM 508 CA PRO A 32 -37.280 -6.083 -15.500 1.00 0.00 C ATOM 509 C PRO A 32 -38.335 -5.580 -14.511 1.00 0.00 C ATOM 510 O PRO A 32 -38.500 -4.390 -14.319 1.00 0.00 O ATOM 511 CB PRO A 32 -37.939 -6.785 -16.684 1.00 0.00 C ATOM 512 CG PRO A 32 -37.957 -8.234 -16.315 1.00 0.00 C ATOM 513 CD PRO A 32 -36.770 -8.477 -15.421 1.00 0.00 C ATOM 0 HA PRO A 32 -36.700 -5.210 -15.799 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -38.948 -6.409 -16.854 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -37.378 -6.619 -17.603 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -38.884 -8.490 -15.802 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -37.903 -8.859 -17.206 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -37.007 -9.185 -14.627 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -35.930 -8.892 -15.978 1.00 0.00 H new ATOM 521 N ASP A 33 -39.047 -6.481 -13.885 1.00 0.00 N ATOM 522 CA ASP A 33 -40.096 -6.068 -12.906 1.00 0.00 C ATOM 523 C ASP A 33 -39.505 -6.001 -11.494 1.00 0.00 C ATOM 524 O ASP A 33 -40.020 -6.597 -10.567 1.00 0.00 O ATOM 525 CB ASP A 33 -41.166 -7.157 -12.991 1.00 0.00 C ATOM 526 CG ASP A 33 -41.991 -6.963 -14.265 1.00 0.00 C ATOM 527 OD1 ASP A 33 -42.774 -6.029 -14.304 1.00 0.00 O ATOM 528 OD2 ASP A 33 -41.826 -7.753 -15.181 1.00 0.00 O ATOM 0 H ASP A 33 -38.947 -7.488 -14.010 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.502 -5.081 -13.126 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.699 -8.142 -12.994 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -41.814 -7.114 -12.115 1.00 0.00 H new ATOM 533 N SER A 34 -38.426 -5.279 -11.329 1.00 0.00 N ATOM 534 CA SER A 34 -37.791 -5.165 -9.981 1.00 0.00 C ATOM 535 C SER A 34 -37.118 -3.799 -9.827 1.00 0.00 C ATOM 536 O SER A 34 -36.227 -3.449 -10.580 1.00 0.00 O ATOM 537 CB SER A 34 -36.753 -6.284 -9.937 1.00 0.00 C ATOM 538 OG SER A 34 -37.410 -7.540 -10.036 1.00 0.00 O ATOM 0 H SER A 34 -37.956 -4.762 -12.072 1.00 0.00 H new ATOM 0 HA SER A 34 -38.517 -5.252 -9.173 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.042 -6.168 -10.755 1.00 0.00 H new ATOM 0 HB3 SER A 34 -36.184 -6.231 -9.009 1.00 0.00 H new ATOM 0 HG SER A 34 -36.745 -8.260 -10.010 1.00 0.00 H new ATOM 544 N SER A 35 -37.539 -3.028 -8.859 1.00 0.00 N ATOM 545 CA SER A 35 -36.934 -1.683 -8.646 1.00 0.00 C ATOM 546 C SER A 35 -35.831 -1.759 -7.585 1.00 0.00 C ATOM 547 O SER A 35 -36.095 -1.696 -6.400 1.00 0.00 O ATOM 548 CB SER A 35 -38.084 -0.803 -8.158 1.00 0.00 C ATOM 549 OG SER A 35 -37.580 0.477 -7.805 1.00 0.00 O ATOM 0 H SER A 35 -38.281 -3.275 -8.204 1.00 0.00 H new ATOM 0 HA SER A 35 -36.476 -1.290 -9.553 1.00 0.00 H new ATOM 0 HB2 SER A 35 -38.839 -0.706 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.571 -1.264 -7.299 1.00 0.00 H new ATOM 0 HG SER A 35 -38.316 1.044 -7.493 1.00 0.00 H new ATOM 555 N VAL A 36 -34.598 -1.897 -8.007 1.00 0.00 N ATOM 556 CA VAL A 36 -33.474 -1.980 -7.027 1.00 0.00 C ATOM 557 C VAL A 36 -32.997 -0.575 -6.643 1.00 0.00 C ATOM 558 O VAL A 36 -33.015 0.338 -7.445 1.00 0.00 O ATOM 559 CB VAL A 36 -32.368 -2.767 -7.747 1.00 0.00 C ATOM 560 CG1 VAL A 36 -31.837 -1.972 -8.947 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.224 -3.039 -6.768 1.00 0.00 C ATOM 0 H VAL A 36 -34.323 -1.956 -8.987 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.770 -2.469 -6.099 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.781 -3.709 -8.108 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.054 -2.544 -9.445 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.651 -1.784 -9.647 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.428 -1.022 -8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.437 -3.597 -7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.822 -2.093 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.597 -3.621 -5.925 1.00 0.00 H new ATOM 571 N ASN A 37 -32.563 -0.408 -5.423 1.00 0.00 N ATOM 572 CA ASN A 37 -32.073 0.925 -4.968 1.00 0.00 C ATOM 573 C ASN A 37 -30.638 0.787 -4.457 1.00 0.00 C ATOM 574 O ASN A 37 -29.912 -0.100 -4.868 1.00 0.00 O ATOM 575 CB ASN A 37 -33.020 1.328 -3.835 1.00 0.00 C ATOM 576 CG ASN A 37 -33.382 2.808 -3.964 1.00 0.00 C ATOM 577 OD1 ASN A 37 -33.372 3.358 -5.047 1.00 0.00 O ATOM 578 ND2 ASN A 37 -33.706 3.479 -2.893 1.00 0.00 N ATOM 0 H ASN A 37 -32.527 -1.143 -4.717 1.00 0.00 H new ATOM 0 HA ASN A 37 -32.064 1.670 -5.763 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -33.923 0.719 -3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -32.547 1.143 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -33.951 4.466 -2.965 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -33.714 3.016 -1.984 1.00 0.00 H new ATOM 585 N PHE A 38 -30.223 1.647 -3.561 1.00 0.00 N ATOM 586 CA PHE A 38 -28.835 1.552 -3.024 1.00 0.00 C ATOM 587 C PHE A 38 -28.841 0.815 -1.685 1.00 0.00 C ATOM 588 O PHE A 38 -28.101 -0.126 -1.492 1.00 0.00 O ATOM 589 CB PHE A 38 -28.366 2.993 -2.828 1.00 0.00 C ATOM 590 CG PHE A 38 -28.376 3.718 -4.152 1.00 0.00 C ATOM 591 CD1 PHE A 38 -27.349 3.499 -5.078 1.00 0.00 C ATOM 592 CD2 PHE A 38 -29.413 4.609 -4.455 1.00 0.00 C ATOM 593 CE1 PHE A 38 -27.357 4.170 -6.306 1.00 0.00 C ATOM 594 CE2 PHE A 38 -29.422 5.280 -5.684 1.00 0.00 C ATOM 595 CZ PHE A 38 -28.394 5.060 -6.609 1.00 0.00 C ATOM 0 H PHE A 38 -30.785 2.408 -3.180 1.00 0.00 H new ATOM 0 HA PHE A 38 -28.178 1.003 -3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -29.017 3.504 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -27.362 3.004 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -26.550 2.811 -4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -30.205 4.779 -3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -26.564 4.001 -7.019 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -30.222 5.967 -5.918 1.00 0.00 H new ATOM 0 HZ PHE A 38 -28.401 5.577 -7.557 1.00 0.00 H new ATOM 605 N ALA A 39 -29.662 1.249 -0.758 1.00 0.00 N ATOM 606 CA ALA A 39 -29.707 0.587 0.584 1.00 0.00 C ATOM 607 C ALA A 39 -30.360 -0.786 0.501 1.00 0.00 C ATOM 608 O ALA A 39 -29.748 -1.780 0.847 1.00 0.00 O ATOM 609 CB ALA A 39 -30.522 1.524 1.475 1.00 0.00 C ATOM 0 H ALA A 39 -30.303 2.034 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.705 0.422 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -30.596 1.101 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -30.031 2.496 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -31.522 1.645 1.058 1.00 0.00 H new ATOM 615 N GLU A 40 -31.585 -0.869 0.035 1.00 0.00 N ATOM 616 CA GLU A 40 -32.243 -2.212 -0.075 1.00 0.00 C ATOM 617 C GLU A 40 -31.353 -3.153 -0.897 1.00 0.00 C ATOM 618 O GLU A 40 -31.420 -4.360 -0.761 1.00 0.00 O ATOM 619 CB GLU A 40 -33.591 -1.977 -0.770 1.00 0.00 C ATOM 620 CG GLU A 40 -33.384 -1.239 -2.095 1.00 0.00 C ATOM 621 CD GLU A 40 -34.315 -1.821 -3.161 1.00 0.00 C ATOM 622 OE1 GLU A 40 -33.996 -2.876 -3.686 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.331 -1.203 -3.434 1.00 0.00 O ATOM 0 H GLU A 40 -32.151 -0.077 -0.270 1.00 0.00 H new ATOM 0 HA GLU A 40 -32.393 -2.676 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -34.086 -2.931 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.246 -1.396 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -33.584 -0.175 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -32.346 -1.331 -2.415 1.00 0.00 H new ATOM 630 N PHE A 41 -30.498 -2.599 -1.728 1.00 0.00 N ATOM 631 CA PHE A 41 -29.582 -3.445 -2.531 1.00 0.00 C ATOM 632 C PHE A 41 -28.215 -3.560 -1.839 1.00 0.00 C ATOM 633 O PHE A 41 -27.455 -4.472 -2.108 1.00 0.00 O ATOM 634 CB PHE A 41 -29.456 -2.741 -3.884 1.00 0.00 C ATOM 635 CG PHE A 41 -28.700 -3.630 -4.842 1.00 0.00 C ATOM 636 CD1 PHE A 41 -29.278 -4.821 -5.298 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.419 -3.264 -5.275 1.00 0.00 C ATOM 638 CE1 PHE A 41 -28.577 -5.646 -6.186 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.718 -4.089 -6.163 1.00 0.00 C ATOM 640 CZ PHE A 41 -27.297 -5.280 -6.619 1.00 0.00 C ATOM 0 H PHE A 41 -30.402 -1.595 -1.878 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.959 -4.461 -2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.445 -2.516 -4.283 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.936 -1.790 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -30.266 -5.104 -4.964 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.972 -2.346 -4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -29.024 -6.565 -6.537 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.730 -3.807 -6.496 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.756 -5.916 -7.304 1.00 0.00 H new ATOM 650 N SER A 42 -27.901 -2.651 -0.943 1.00 0.00 N ATOM 651 CA SER A 42 -26.586 -2.724 -0.231 1.00 0.00 C ATOM 652 C SER A 42 -26.547 -3.986 0.641 1.00 0.00 C ATOM 653 O SER A 42 -25.510 -4.586 0.844 1.00 0.00 O ATOM 654 CB SER A 42 -26.497 -1.444 0.610 1.00 0.00 C ATOM 655 OG SER A 42 -26.411 -1.746 2.002 1.00 0.00 O ATOM 0 H SER A 42 -28.496 -1.867 -0.676 1.00 0.00 H new ATOM 0 HA SER A 42 -25.739 -2.789 -0.914 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.624 -0.866 0.306 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.372 -0.822 0.424 1.00 0.00 H new ATOM 0 HG SER A 42 -26.354 -0.913 2.515 1.00 0.00 H new ATOM 661 N LYS A 43 -27.684 -4.379 1.155 1.00 0.00 N ATOM 662 CA LYS A 43 -27.748 -5.595 2.021 1.00 0.00 C ATOM 663 C LYS A 43 -27.467 -6.862 1.200 1.00 0.00 C ATOM 664 O LYS A 43 -27.118 -7.893 1.744 1.00 0.00 O ATOM 665 CB LYS A 43 -29.182 -5.619 2.572 1.00 0.00 C ATOM 666 CG LYS A 43 -29.176 -5.208 4.047 1.00 0.00 C ATOM 667 CD LYS A 43 -28.842 -6.422 4.916 1.00 0.00 C ATOM 668 CE LYS A 43 -28.174 -5.957 6.212 1.00 0.00 C ATOM 669 NZ LYS A 43 -28.016 -7.193 7.028 1.00 0.00 N ATOM 0 H LYS A 43 -28.577 -3.907 1.011 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.003 -5.567 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -29.814 -4.941 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.606 -6.617 2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -28.444 -4.418 4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -30.149 -4.804 4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -29.750 -6.980 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -28.179 -7.098 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -27.210 -5.489 6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -28.786 -5.218 6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.564 -6.955 7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -28.951 -7.613 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -27.423 -7.875 6.514 1.00 0.00 H new ATOM 683 N LYS A 44 -27.623 -6.796 -0.101 1.00 0.00 N ATOM 684 CA LYS A 44 -27.370 -8.000 -0.951 1.00 0.00 C ATOM 685 C LYS A 44 -25.879 -8.119 -1.287 1.00 0.00 C ATOM 686 O LYS A 44 -25.267 -9.145 -1.061 1.00 0.00 O ATOM 687 CB LYS A 44 -28.187 -7.765 -2.221 1.00 0.00 C ATOM 688 CG LYS A 44 -28.722 -9.103 -2.737 1.00 0.00 C ATOM 689 CD LYS A 44 -27.591 -9.880 -3.412 1.00 0.00 C ATOM 690 CE LYS A 44 -28.085 -11.279 -3.788 1.00 0.00 C ATOM 691 NZ LYS A 44 -28.904 -11.082 -5.016 1.00 0.00 N ATOM 0 H LYS A 44 -27.914 -5.961 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.652 -8.924 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.014 -7.086 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.568 -7.291 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -29.135 -9.684 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.534 -8.933 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.253 -9.351 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.735 -9.953 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -27.251 -11.955 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.677 -11.717 -2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -29.854 -11.479 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -28.982 -10.066 -5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -28.449 -11.564 -5.818 1.00 0.00 H new ATOM 705 N CYS A 45 -25.297 -7.080 -1.830 1.00 0.00 N ATOM 706 CA CYS A 45 -23.844 -7.132 -2.190 1.00 0.00 C ATOM 707 C CYS A 45 -22.992 -7.398 -0.942 1.00 0.00 C ATOM 708 O CYS A 45 -21.926 -7.980 -1.022 1.00 0.00 O ATOM 709 CB CYS A 45 -23.521 -5.756 -2.796 1.00 0.00 C ATOM 710 SG CYS A 45 -23.849 -4.443 -1.590 1.00 0.00 S ATOM 0 H CYS A 45 -25.763 -6.198 -2.040 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.626 -7.937 -2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -22.476 -5.723 -3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.122 -5.595 -3.691 1.00 0.00 H new ATOM 0 HG CYS A 45 -24.631 -4.897 -0.656 1.00 0.00 H new ATOM 716 N SER A 46 -23.457 -6.975 0.207 1.00 0.00 N ATOM 717 CA SER A 46 -22.677 -7.200 1.465 1.00 0.00 C ATOM 718 C SER A 46 -22.536 -8.699 1.737 1.00 0.00 C ATOM 719 O SER A 46 -21.543 -9.148 2.279 1.00 0.00 O ATOM 720 CB SER A 46 -23.493 -6.530 2.572 1.00 0.00 C ATOM 721 OG SER A 46 -24.765 -7.159 2.664 1.00 0.00 O ATOM 0 H SER A 46 -24.342 -6.484 0.329 1.00 0.00 H new ATOM 0 HA SER A 46 -21.669 -6.790 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.967 -6.606 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.614 -5.468 2.358 1.00 0.00 H new ATOM 0 HG SER A 46 -25.227 -6.846 3.469 1.00 0.00 H new ATOM 727 N GLU A 47 -23.522 -9.475 1.362 1.00 0.00 N ATOM 728 CA GLU A 47 -23.450 -10.951 1.595 1.00 0.00 C ATOM 729 C GLU A 47 -22.340 -11.565 0.738 1.00 0.00 C ATOM 730 O GLU A 47 -21.732 -12.550 1.111 1.00 0.00 O ATOM 731 CB GLU A 47 -24.817 -11.494 1.173 1.00 0.00 C ATOM 732 CG GLU A 47 -25.894 -10.955 2.117 1.00 0.00 C ATOM 733 CD GLU A 47 -27.101 -11.896 2.104 1.00 0.00 C ATOM 734 OE1 GLU A 47 -27.633 -12.128 1.031 1.00 0.00 O ATOM 735 OE2 GLU A 47 -27.471 -12.366 3.166 1.00 0.00 O ATOM 0 H GLU A 47 -24.374 -9.151 0.904 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.223 -11.193 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.037 -11.198 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.810 -12.584 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.497 -10.870 3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.196 -9.954 1.808 1.00 0.00 H new ATOM 742 N ARG A 48 -22.075 -10.987 -0.405 1.00 0.00 N ATOM 743 CA ARG A 48 -21.004 -11.527 -1.295 1.00 0.00 C ATOM 744 C ARG A 48 -19.673 -10.827 -1.005 1.00 0.00 C ATOM 745 O ARG A 48 -18.612 -11.396 -1.179 1.00 0.00 O ATOM 746 CB ARG A 48 -21.475 -11.216 -2.715 1.00 0.00 C ATOM 747 CG ARG A 48 -20.816 -12.188 -3.697 1.00 0.00 C ATOM 748 CD ARG A 48 -21.644 -12.256 -4.982 1.00 0.00 C ATOM 749 NE ARG A 48 -22.756 -13.196 -4.673 1.00 0.00 N ATOM 750 CZ ARG A 48 -23.938 -13.003 -5.195 1.00 0.00 C ATOM 751 NH1 ARG A 48 -24.562 -11.875 -4.996 1.00 0.00 N ATOM 752 NH2 ARG A 48 -24.493 -13.939 -5.915 1.00 0.00 N ATOM 0 H ARG A 48 -22.556 -10.161 -0.762 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.841 -12.594 -1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.560 -11.301 -2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.220 -10.189 -2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.801 -11.861 -3.923 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -20.739 -13.178 -3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.024 -11.273 -5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.045 -12.614 -5.819 1.00 0.00 H new ATOM 0 HE ARG A 48 -22.595 -13.991 -4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -24.127 -11.144 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -25.485 -11.724 -5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -24.004 -14.821 -6.070 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -25.416 -13.789 -6.323 1.00 0.00 H new ATOM 766 N TRP A 49 -19.725 -9.597 -0.561 1.00 0.00 N ATOM 767 CA TRP A 49 -18.467 -8.849 -0.254 1.00 0.00 C ATOM 768 C TRP A 49 -17.827 -9.398 1.027 1.00 0.00 C ATOM 769 O TRP A 49 -16.660 -9.739 1.049 1.00 0.00 O ATOM 770 CB TRP A 49 -18.907 -7.394 -0.059 1.00 0.00 C ATOM 771 CG TRP A 49 -17.711 -6.534 0.211 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.371 -6.037 1.423 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.696 -6.065 -0.723 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.214 -5.293 1.291 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.759 -5.280 -0.012 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.500 -6.243 -2.105 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.665 -4.691 -0.648 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.401 -5.652 -2.749 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.486 -4.877 -2.022 1.00 0.00 C ATOM 0 H TRP A 49 -20.587 -9.077 -0.397 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.724 -8.944 -1.046 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.428 -7.040 -0.949 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.610 -7.325 0.771 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -17.915 -6.196 2.343 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.752 -4.812 2.063 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.199 -6.838 -2.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.962 -4.096 -0.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.260 -5.795 -3.810 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.643 -4.424 -2.523 1.00 0.00 H new ATOM 790 N LYS A 50 -18.587 -9.479 2.089 1.00 0.00 N ATOM 791 CA LYS A 50 -18.031 -10.001 3.376 1.00 0.00 C ATOM 792 C LYS A 50 -17.594 -11.461 3.216 1.00 0.00 C ATOM 793 O LYS A 50 -16.709 -11.929 3.908 1.00 0.00 O ATOM 794 CB LYS A 50 -19.178 -9.893 4.384 1.00 0.00 C ATOM 795 CG LYS A 50 -19.065 -8.570 5.144 1.00 0.00 C ATOM 796 CD LYS A 50 -20.463 -8.068 5.506 1.00 0.00 C ATOM 797 CE LYS A 50 -20.375 -7.144 6.723 1.00 0.00 C ATOM 798 NZ LYS A 50 -20.089 -5.795 6.160 1.00 0.00 N ATOM 0 H LYS A 50 -19.569 -9.206 2.122 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.153 -9.441 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.136 -9.948 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.143 -10.730 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.471 -8.707 6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.549 -7.830 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.899 -7.534 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.119 -8.911 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.306 -7.146 7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.587 -7.463 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.014 -5.105 6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.193 -5.822 5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.860 -5.515 5.520 1.00 0.00 H new ATOM 812 N THR A 51 -18.209 -12.181 2.311 1.00 0.00 N ATOM 813 CA THR A 51 -17.834 -13.612 2.104 1.00 0.00 C ATOM 814 C THR A 51 -16.601 -13.712 1.202 1.00 0.00 C ATOM 815 O THR A 51 -15.820 -14.640 1.308 1.00 0.00 O ATOM 816 CB THR A 51 -19.049 -14.246 1.424 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.473 -13.419 0.350 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.185 -14.393 2.437 1.00 0.00 C ATOM 0 H THR A 51 -18.955 -11.838 1.706 1.00 0.00 H new ATOM 0 HA THR A 51 -17.583 -14.112 3.040 1.00 0.00 H new ATOM 0 HB THR A 51 -18.779 -15.230 1.041 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.267 -12.913 0.621 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.050 -14.845 1.951 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.858 -15.028 3.260 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.458 -13.411 2.823 1.00 0.00 H new ATOM 826 N MET A 52 -16.423 -12.765 0.316 1.00 0.00 N ATOM 827 CA MET A 52 -15.240 -12.800 -0.598 1.00 0.00 C ATOM 828 C MET A 52 -13.943 -12.732 0.214 1.00 0.00 C ATOM 829 O MET A 52 -13.951 -12.401 1.384 1.00 0.00 O ATOM 830 CB MET A 52 -15.379 -11.563 -1.489 1.00 0.00 C ATOM 831 CG MET A 52 -16.253 -11.901 -2.697 1.00 0.00 C ATOM 832 SD MET A 52 -16.885 -10.372 -3.432 1.00 0.00 S ATOM 833 CE MET A 52 -15.380 -9.911 -4.325 1.00 0.00 C ATOM 0 H MET A 52 -17.046 -11.968 0.186 1.00 0.00 H new ATOM 0 HA MET A 52 -15.203 -13.718 -1.184 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.822 -10.743 -0.924 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.396 -11.228 -1.820 1.00 0.00 H new ATOM 0 HG2 MET A 52 -15.674 -12.459 -3.433 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.082 -12.540 -2.392 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.490 -8.904 -4.728 1.00 0.00 H new ATOM 0 HE2 MET A 52 -14.530 -9.938 -3.643 1.00 0.00 H new ATOM 0 HE3 MET A 52 -15.212 -10.613 -5.142 1.00 0.00 H new ATOM 843 N SER A 53 -12.831 -13.046 -0.402 1.00 0.00 N ATOM 844 CA SER A 53 -11.528 -13.004 0.326 1.00 0.00 C ATOM 845 C SER A 53 -10.688 -11.817 -0.155 1.00 0.00 C ATOM 846 O SER A 53 -11.139 -11.004 -0.940 1.00 0.00 O ATOM 847 CB SER A 53 -10.838 -14.322 -0.022 1.00 0.00 C ATOM 848 OG SER A 53 -11.606 -15.403 0.494 1.00 0.00 O ATOM 0 H SER A 53 -12.770 -13.330 -1.380 1.00 0.00 H new ATOM 0 HA SER A 53 -11.661 -12.883 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.734 -14.417 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.832 -14.342 0.398 1.00 0.00 H new ATOM 0 HG SER A 53 -11.168 -16.251 0.272 1.00 0.00 H new ATOM 854 N ALA A 54 -9.470 -11.716 0.314 1.00 0.00 N ATOM 855 CA ALA A 54 -8.588 -10.582 -0.108 1.00 0.00 C ATOM 856 C ALA A 54 -8.156 -10.750 -1.570 1.00 0.00 C ATOM 857 O ALA A 54 -7.788 -9.793 -2.225 1.00 0.00 O ATOM 858 CB ALA A 54 -7.374 -10.652 0.819 1.00 0.00 C ATOM 0 H ALA A 54 -9.046 -12.370 0.972 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.100 -9.622 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.680 -9.850 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.699 -10.543 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.876 -11.614 0.695 1.00 0.00 H new ATOM 864 N LYS A 55 -8.199 -11.955 -2.086 1.00 0.00 N ATOM 865 CA LYS A 55 -7.791 -12.178 -3.508 1.00 0.00 C ATOM 866 C LYS A 55 -8.807 -11.530 -4.448 1.00 0.00 C ATOM 867 O LYS A 55 -8.473 -11.092 -5.534 1.00 0.00 O ATOM 868 CB LYS A 55 -7.781 -13.697 -3.692 1.00 0.00 C ATOM 869 CG LYS A 55 -6.578 -14.294 -2.959 1.00 0.00 C ATOM 870 CD LYS A 55 -5.322 -14.123 -3.815 1.00 0.00 C ATOM 871 CE LYS A 55 -4.259 -15.128 -3.367 1.00 0.00 C ATOM 872 NZ LYS A 55 -3.750 -14.597 -2.072 1.00 0.00 N ATOM 0 H LYS A 55 -8.498 -12.791 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.819 -11.740 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.705 -14.127 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.733 -13.945 -4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.444 -13.801 -1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.751 -15.351 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.562 -14.276 -4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.940 -13.107 -3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.684 -16.124 -3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.458 -15.210 -4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.887 -15.110 -1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.534 -13.585 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.473 -14.725 -1.336 1.00 0.00 H new ATOM 886 N GLU A 56 -10.046 -11.465 -4.033 1.00 0.00 N ATOM 887 CA GLU A 56 -11.099 -10.845 -4.888 1.00 0.00 C ATOM 888 C GLU A 56 -11.354 -9.405 -4.440 1.00 0.00 C ATOM 889 O GLU A 56 -11.515 -8.511 -5.250 1.00 0.00 O ATOM 890 CB GLU A 56 -12.340 -11.707 -4.664 1.00 0.00 C ATOM 891 CG GLU A 56 -12.234 -12.977 -5.509 1.00 0.00 C ATOM 892 CD GLU A 56 -13.608 -13.641 -5.607 1.00 0.00 C ATOM 893 OE1 GLU A 56 -14.422 -13.163 -6.380 1.00 0.00 O ATOM 894 OE2 GLU A 56 -13.822 -14.618 -4.909 1.00 0.00 O ATOM 0 H GLU A 56 -10.374 -11.817 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.815 -10.805 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.432 -11.965 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.237 -11.150 -4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.864 -12.734 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.517 -13.665 -5.062 1.00 0.00 H new ATOM 901 N LYS A 57 -11.387 -9.178 -3.152 1.00 0.00 N ATOM 902 CA LYS A 57 -11.625 -7.795 -2.635 1.00 0.00 C ATOM 903 C LYS A 57 -10.467 -6.869 -3.025 1.00 0.00 C ATOM 904 O LYS A 57 -10.616 -5.663 -3.060 1.00 0.00 O ATOM 905 CB LYS A 57 -11.701 -7.942 -1.112 1.00 0.00 C ATOM 906 CG LYS A 57 -13.148 -8.211 -0.695 1.00 0.00 C ATOM 907 CD LYS A 57 -13.181 -8.682 0.761 1.00 0.00 C ATOM 908 CE LYS A 57 -12.971 -7.483 1.690 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.448 -7.943 3.024 1.00 0.00 N ATOM 0 H LYS A 57 -11.259 -9.891 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.533 -7.357 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.059 -8.759 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.335 -7.035 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.745 -7.306 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.590 -8.968 -1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.136 -9.161 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.404 -9.428 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.922 -7.190 1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.533 -6.614 1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.336 -7.175 3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.451 -8.209 2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.890 -8.766 3.327 1.00 0.00 H new ATOM 923 N SER A 58 -9.315 -7.425 -3.319 1.00 0.00 N ATOM 924 CA SER A 58 -8.146 -6.574 -3.706 1.00 0.00 C ATOM 925 C SER A 58 -8.403 -5.899 -5.056 1.00 0.00 C ATOM 926 O SER A 58 -7.934 -4.806 -5.311 1.00 0.00 O ATOM 927 CB SER A 58 -6.962 -7.537 -3.806 1.00 0.00 C ATOM 928 OG SER A 58 -7.318 -8.634 -4.638 1.00 0.00 O ATOM 0 H SER A 58 -9.135 -8.429 -3.308 1.00 0.00 H new ATOM 0 HA SER A 58 -7.963 -5.779 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.093 -7.022 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.683 -7.893 -2.814 1.00 0.00 H new ATOM 0 HG SER A 58 -7.456 -9.432 -4.086 1.00 0.00 H new ATOM 934 N LYS A 59 -9.145 -6.545 -5.920 1.00 0.00 N ATOM 935 CA LYS A 59 -9.437 -5.945 -7.260 1.00 0.00 C ATOM 936 C LYS A 59 -10.299 -4.690 -7.100 1.00 0.00 C ATOM 937 O LYS A 59 -10.237 -3.779 -7.905 1.00 0.00 O ATOM 938 CB LYS A 59 -10.201 -7.025 -8.029 1.00 0.00 C ATOM 939 CG LYS A 59 -10.247 -6.658 -9.514 1.00 0.00 C ATOM 940 CD LYS A 59 -11.337 -7.475 -10.210 1.00 0.00 C ATOM 941 CE LYS A 59 -11.663 -6.843 -11.565 1.00 0.00 C ATOM 942 NZ LYS A 59 -12.849 -7.592 -12.063 1.00 0.00 N ATOM 0 H LYS A 59 -9.562 -7.462 -5.757 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.528 -5.644 -7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.716 -7.992 -7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.213 -7.120 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.447 -5.593 -9.630 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.280 -6.853 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.003 -8.503 -10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.232 -7.511 -9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.882 -5.780 -11.463 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.823 -6.931 -12.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.133 -7.216 -12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.609 -8.600 -12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.635 -7.485 -11.390 1.00 0.00 H new ATOM 956 N PHE A 60 -11.102 -4.639 -6.067 1.00 0.00 N ATOM 957 CA PHE A 60 -11.973 -3.447 -5.846 1.00 0.00 C ATOM 958 C PHE A 60 -11.257 -2.423 -4.960 1.00 0.00 C ATOM 959 O PHE A 60 -11.500 -1.234 -5.052 1.00 0.00 O ATOM 960 CB PHE A 60 -13.216 -3.991 -5.141 1.00 0.00 C ATOM 961 CG PHE A 60 -14.087 -4.712 -6.140 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.052 -4.004 -6.867 1.00 0.00 C ATOM 963 CD2 PHE A 60 -13.931 -6.088 -6.341 1.00 0.00 C ATOM 964 CE1 PHE A 60 -15.861 -4.673 -7.793 1.00 0.00 C ATOM 965 CE2 PHE A 60 -14.739 -6.758 -7.268 1.00 0.00 C ATOM 966 CZ PHE A 60 -15.704 -6.050 -7.994 1.00 0.00 C ATOM 0 H PHE A 60 -11.191 -5.374 -5.366 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.222 -2.939 -6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.925 -4.670 -4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.772 -3.175 -4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.172 -2.942 -6.713 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.187 -6.634 -5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.606 -4.127 -8.352 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -14.618 -7.820 -7.423 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.328 -6.566 -8.709 1.00 0.00 H new ATOM 976 N GLU A 61 -10.378 -2.879 -4.104 1.00 0.00 N ATOM 977 CA GLU A 61 -9.640 -1.938 -3.206 1.00 0.00 C ATOM 978 C GLU A 61 -8.494 -1.266 -3.969 1.00 0.00 C ATOM 979 O GLU A 61 -8.101 -0.157 -3.661 1.00 0.00 O ATOM 980 CB GLU A 61 -9.094 -2.811 -2.076 1.00 0.00 C ATOM 981 CG GLU A 61 -10.201 -3.079 -1.056 1.00 0.00 C ATOM 982 CD GLU A 61 -9.618 -3.819 0.149 1.00 0.00 C ATOM 983 OE1 GLU A 61 -8.709 -3.286 0.763 1.00 0.00 O ATOM 984 OE2 GLU A 61 -10.090 -4.907 0.438 1.00 0.00 O ATOM 0 H GLU A 61 -10.139 -3.864 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.281 -1.140 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.720 -3.753 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.253 -2.314 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.650 -2.139 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.994 -3.672 -1.512 1.00 0.00 H new ATOM 991 N ASP A 62 -7.958 -1.933 -4.960 1.00 0.00 N ATOM 992 CA ASP A 62 -6.836 -1.340 -5.749 1.00 0.00 C ATOM 993 C ASP A 62 -7.378 -0.332 -6.766 1.00 0.00 C ATOM 994 O ASP A 62 -6.706 0.613 -7.134 1.00 0.00 O ATOM 995 CB ASP A 62 -6.181 -2.523 -6.464 1.00 0.00 C ATOM 996 CG ASP A 62 -4.802 -2.110 -6.979 1.00 0.00 C ATOM 997 OD1 ASP A 62 -3.935 -1.859 -6.157 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.634 -2.051 -8.185 1.00 0.00 O ATOM 0 H ASP A 62 -8.250 -2.864 -5.257 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.128 -0.804 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.088 -3.367 -5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.807 -2.852 -7.294 1.00 0.00 H new ATOM 1003 N MET A 63 -8.591 -0.528 -7.219 1.00 0.00 N ATOM 1004 CA MET A 63 -9.186 0.414 -8.214 1.00 0.00 C ATOM 1005 C MET A 63 -9.770 1.636 -7.499 1.00 0.00 C ATOM 1006 O MET A 63 -9.827 2.719 -8.052 1.00 0.00 O ATOM 1007 CB MET A 63 -10.293 -0.384 -8.904 1.00 0.00 C ATOM 1008 CG MET A 63 -9.670 -1.375 -9.888 1.00 0.00 C ATOM 1009 SD MET A 63 -9.085 -0.486 -11.352 1.00 0.00 S ATOM 1010 CE MET A 63 -7.908 -1.735 -11.922 1.00 0.00 C ATOM 0 H MET A 63 -9.195 -1.301 -6.942 1.00 0.00 H new ATOM 0 HA MET A 63 -8.448 0.784 -8.926 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.888 -0.917 -8.162 1.00 0.00 H new ATOM 0 HB3 MET A 63 -10.969 0.291 -9.430 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.842 -1.902 -9.414 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.404 -2.128 -10.176 1.00 0.00 H new ATOM 0 HE1 MET A 63 -7.421 -1.387 -12.833 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.156 -1.905 -11.151 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.436 -2.667 -12.125 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.203 1.468 -6.276 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.785 2.618 -5.517 1.00 0.00 C ATOM 1022 C ALA A 64 -9.673 3.562 -5.055 1.00 0.00 C ATOM 1023 O ALA A 64 -9.774 4.767 -5.192 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.490 1.989 -4.312 1.00 0.00 C ATOM 0 H ALA A 64 -10.179 0.583 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.471 3.207 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.943 2.773 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.265 1.306 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.765 1.440 -3.712 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.612 3.019 -4.512 1.00 0.00 N ATOM 1031 CA LYS A 65 -7.483 3.880 -4.039 1.00 0.00 C ATOM 1032 C LYS A 65 -6.763 4.512 -5.234 1.00 0.00 C ATOM 1033 O LYS A 65 -6.195 5.583 -5.130 1.00 0.00 O ATOM 1034 CB LYS A 65 -6.544 2.935 -3.286 1.00 0.00 C ATOM 1035 CG LYS A 65 -5.584 3.752 -2.419 1.00 0.00 C ATOM 1036 CD LYS A 65 -4.293 2.960 -2.201 1.00 0.00 C ATOM 1037 CE LYS A 65 -4.550 1.831 -1.201 1.00 0.00 C ATOM 1038 NZ LYS A 65 -3.195 1.356 -0.802 1.00 0.00 N ATOM 0 H LYS A 65 -8.478 2.017 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.828 4.697 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.121 2.252 -2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.982 2.324 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.362 4.704 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.049 3.981 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.942 2.549 -3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.508 3.618 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.113 2.188 -0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.133 1.028 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.287 0.580 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.685 1.016 -1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.666 2.140 -0.369 1.00 0.00 H new ATOM 1052 N SER A 66 -6.785 3.855 -6.367 1.00 0.00 N ATOM 1053 CA SER A 66 -6.101 4.412 -7.575 1.00 0.00 C ATOM 1054 C SER A 66 -6.721 5.759 -7.959 1.00 0.00 C ATOM 1055 O SER A 66 -6.065 6.615 -8.521 1.00 0.00 O ATOM 1056 CB SER A 66 -6.334 3.383 -8.682 1.00 0.00 C ATOM 1057 OG SER A 66 -5.209 2.517 -8.763 1.00 0.00 O ATOM 0 H SER A 66 -7.247 2.957 -6.508 1.00 0.00 H new ATOM 0 HA SER A 66 -5.039 4.586 -7.400 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.236 2.807 -8.475 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.489 3.887 -9.636 1.00 0.00 H new ATOM 0 HG SER A 66 -5.388 1.700 -8.253 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.981 5.949 -7.657 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.653 7.237 -8.001 1.00 0.00 C ATOM 1065 C ASP A 67 -8.785 8.114 -6.752 1.00 0.00 C ATOM 1066 O ASP A 67 -8.783 9.328 -6.834 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.033 6.837 -8.525 1.00 0.00 C ATOM 1068 CG ASP A 67 -9.900 6.293 -9.947 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -9.648 7.083 -10.841 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -10.056 5.095 -10.120 1.00 0.00 O ATOM 0 H ASP A 67 -8.574 5.265 -7.186 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.091 7.813 -8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.476 6.082 -7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.701 7.698 -8.515 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.901 7.504 -5.600 1.00 0.00 N ATOM 1076 CA LYS A 68 -9.034 8.295 -4.338 1.00 0.00 C ATOM 1077 C LYS A 68 -7.728 9.035 -4.037 1.00 0.00 C ATOM 1078 O LYS A 68 -7.730 10.102 -3.453 1.00 0.00 O ATOM 1079 CB LYS A 68 -9.328 7.266 -3.244 1.00 0.00 C ATOM 1080 CG LYS A 68 -10.204 7.903 -2.164 1.00 0.00 C ATOM 1081 CD LYS A 68 -9.985 7.177 -0.834 1.00 0.00 C ATOM 1082 CE LYS A 68 -11.283 7.195 -0.023 1.00 0.00 C ATOM 1083 NZ LYS A 68 -12.053 6.014 -0.502 1.00 0.00 N ATOM 0 H LYS A 68 -8.909 6.491 -5.478 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.820 9.047 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.832 6.399 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.396 6.909 -2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.958 8.960 -2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.254 7.847 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.672 6.149 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.185 7.659 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.081 7.128 1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.837 8.120 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.900 5.890 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.338 6.163 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.459 5.163 -0.438 1.00 0.00 H new ATOM 1097 N ALA A 69 -6.614 8.474 -4.436 1.00 0.00 N ATOM 1098 CA ALA A 69 -5.300 9.140 -4.178 1.00 0.00 C ATOM 1099 C ALA A 69 -5.147 10.372 -5.075 1.00 0.00 C ATOM 1100 O ALA A 69 -4.477 11.324 -4.723 1.00 0.00 O ATOM 1101 CB ALA A 69 -4.242 8.091 -4.525 1.00 0.00 C ATOM 0 H ALA A 69 -6.557 7.583 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.209 9.482 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.248 8.508 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.377 7.214 -3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.345 7.802 -5.571 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.765 10.357 -6.228 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.662 11.526 -7.155 1.00 0.00 C ATOM 1109 C ARG A 70 -6.339 12.751 -6.536 1.00 0.00 C ATOM 1110 O ARG A 70 -5.966 13.878 -6.804 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.392 11.097 -8.430 1.00 0.00 C ATOM 1112 CG ARG A 70 -6.066 12.077 -9.559 1.00 0.00 C ATOM 1113 CD ARG A 70 -6.467 11.462 -10.901 1.00 0.00 C ATOM 1114 NE ARG A 70 -6.478 12.602 -11.859 1.00 0.00 N ATOM 1115 CZ ARG A 70 -5.927 12.470 -13.036 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -6.607 11.947 -14.019 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -4.697 12.861 -13.228 1.00 0.00 N ATOM 0 H ARG A 70 -6.338 9.585 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.626 11.800 -7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.091 10.088 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.468 11.072 -8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.597 13.016 -9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.001 12.309 -9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.759 10.693 -11.210 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.446 10.987 -10.841 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.915 13.485 -11.596 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.568 11.641 -13.868 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.177 11.844 -14.938 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.166 13.270 -12.459 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.267 12.758 -14.147 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.332 12.538 -5.710 1.00 0.00 N ATOM 1132 CA TYR A 71 -8.041 13.688 -5.067 1.00 0.00 C ATOM 1133 C TYR A 71 -7.088 14.439 -4.132 1.00 0.00 C ATOM 1134 O TYR A 71 -7.227 15.629 -3.919 1.00 0.00 O ATOM 1135 CB TYR A 71 -9.189 13.063 -4.272 1.00 0.00 C ATOM 1136 CG TYR A 71 -10.207 14.127 -3.937 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -11.131 14.541 -4.905 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -10.228 14.700 -2.660 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -12.075 15.527 -4.594 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -11.171 15.686 -2.350 1.00 0.00 C ATOM 1141 CZ TYR A 71 -12.094 16.100 -3.317 1.00 0.00 C ATOM 1142 OH TYR A 71 -13.025 17.072 -3.012 1.00 0.00 O ATOM 0 H TYR A 71 -7.684 11.616 -5.452 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.403 14.408 -5.801 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.656 12.267 -4.852 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -8.807 12.609 -3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.115 14.100 -5.891 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -9.516 14.381 -1.914 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.789 15.846 -5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.187 16.128 -1.365 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.902 17.363 -2.084 1.00 0.00 H new